Geometry & MOs

Info

ID:	272786
PubChem CID:	103756939
Reduced:	ClSN2O4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	282.072845
ΔH_f, kcal/mol:	-31.54
Dipole, Da:	3.44
IP(EA), eV:	-10.36(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-5-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)S(=O)(=O)NCCCCC#C)[N+](=O)[O-]

DOS

IR

Vibrations